![2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid structure](/static/products/700/700-77-6.png)
2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid
TL;DR: 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid (CAS 700-77-6) is a chemical compound with molecular formula C6H10O3S2 and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxycarbothioylsulfanylacetic acid
Also Known As: KST-1B7812, 2-propan-2-yloxycarbothioylsulfanylacetic acid, {[(propan-2-yloxy)carbothioyl]sulfanyl}acetic acid, 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid, Acetic acid,2-[[(1-methylethoxy)thioxomethyl]thio]-
| Molecular Formula | C6H10O3S2 |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.00714 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 700-77-6 |
|---|---|
| SMILES | CC(C)OC(=S)SCC(=O)O |
| InChIKey | OCKRQNFGBJJCRP-UHFFFAOYSA-N |
Product Overview
2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid (CAS 700-77-6), with molecular formula C6H10O3S2 and molecular weight 194.01 g/mol. IUPAC: 2-propan-2-yloxycarbothioylsulfanylacetic acid.
Chemical Property Profile of 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid
Property Insights of 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid?
The CAS number of 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid is 700-77-6.
What is the molecular formula of 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid?
The molecular formula of 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid is C6H10O3S2.
What is the molecular weight of 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid?
The molecular weight of 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid is 194.01 g/mol.
Where can I buy 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid?
You can request a quote for 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Isopropoxycarbonothioyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.